7NXK

Crystal structure of human Cdk12/Cyclin K in complex with the inhibitor BSJ-01-175

7NXK の概要

• エントリーDOI: 10.2210/pdb7nxk/pdb
• 分子名称: Cyclin-dependent kinase 12, Cyclin-K, (E)-N-[4-[(1R,3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide, ... (4 entities in total)
• 機能のキーワード: cdk12, cyclin k, ccnk, bsj-01-175, kinase, transcription
• 由来する生物種: Homo sapiens (Human); 詳細
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 145478.48

構造登録者

Anand, K.,Dust, S.,Kaltheuner, I.H.,Geyer, M. (登録日: 2021-03-18, 公開日: 2021-05-12, 最終更新日: 2024-01-31)

• 主引用文献: Jiang, B.,Jiang, J.,Kaltheuner, I.H.,Iniguez, A.B.,Anand, K.,Ferguson, F.M.,Ficarro, S.B.,Seong, B.K.A.,Greifenberg, A.K.,Dust, S.,Kwiatkowski, N.P.,Marto, J.A.,Stegmaier, K.,Zhang, T.,Geyer, M.,Gray, N.S.; Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.; Eur.J.Med.Chem., 221:113481-113481, 2021; PubMed: 33945934; DOI: 10.1016/j.ejmech.2021.113481

実験手法

X-RAY DIFFRACTION (3 Å)